3-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

C22H33N3O2 — CID 119880522

IUPAC3-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCC1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C22H33N3O2/c23-21-18-7-6-17(12-18)20(21)22(27)24-13-15-8-10-25(11-9-15)14-19(26)16-4-2-1-3-5-16/h1-5,15,17-21,26H,6-14,23H2,(H,24,27)
InChIKeyLLHAIJPNSDEBIS-UHFFFAOYSA-N
MW371.53 g/mol
LogP1.92
Rot. Bonds6

About 3-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119880522) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 3-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119880522
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name3-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCC1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C22H33N3O2/c23-21-18-7-6-17(12-18)20(21)22(27)24-13-15-8-10-25(11-9-15)14-19(26)16-4-2-1-3-5-16/h1-5,15,17-21,26H,6-14,23H2,(H,24,27)
InChIKeyLLHAIJPNSDEBIS-UHFFFAOYSA-N
XLogP1.92
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119880522) is 3-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NCC1CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of 3-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is LLHAIJPNSDEBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c23-21-18-7-6-17(12-18)20(21)22(27)24-13-15-8-10-25(11-9-15)14-19(26)16-4-2-1-3-5-16/h1-5,15,17-21,26H,6-14,23H2,(H,24,27).
What are the key properties of 3-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119880522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).